CID 3980642

3-(pyrrolidin-2-yl)quinoline

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC(NC1)C2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2
InChIKey
QETHIJNTMQASAU-UHFFFAOYSA-N
Compound name
3-pyrrolidin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

198.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 143.6
[M+Na]+ 221.104908 150.6
[M-H]- 197.108414 146.7
[M+NH4]+ 216.149513 161.9
[M+K]+ 237.078848 145.5
[M+H-H2O]+ 181.112950 135.3
[M+HCOO]- 243.113891 162.0
[M+CH3COO]- 257.129541 155.3
[M+Na-2H]- 219.090356 149.3
[M]+ 198.11514142 138.6
[M]- 198.11623858 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe